N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine

C40H84N2O2 — CID 171750134

About N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine

N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine (PubChem CID 171750134) has the molecular formula C40H84N2O2 and a molecular weight of 625.12 g/mol. Its IUPAC name is N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine.

Molecular Properties

• Compound Name: N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
• PubChem CID: 171750134
• Molecular Formula: C40H84N2O2
• Molecular Weight: 625.12 g/mol
• Exact Mass: 624.65
• IUPAC Name: N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine
• SMILES: CCCCCCCCCCCN(C)CCOCCOCCN(CCCCCCCCCCC)CCCCCCCCCCC
• InChI: InChI=1S/C40H84N2O2/c1-5-8-11-14-17-20-23-26-29-32-41(4)35-37-43-39-40-44-38-36-42(33-30-27-24-21-18-15-12-9-6-2)34-31-28-25-22-19-16-13-10-7-3/h5-40H2,1-4H3
• InChIKey: JMNNXVVQYKGVDH-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 39
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.12
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine?

The IUPAC name of N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine (CID 171750134) is N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine.

What is the SMILES notation for N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine?

The canonical SMILES for N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine is CCCCCCCCCCCN(C)CCOCCOCCN(CCCCCCCCCCC)CCCCCCCCCCC.

What is the InChIKey of N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine?

The InChIKey is JMNNXVVQYKGVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H84N2O2/c1-5-8-11-14-17-20-23-26-29-32-41(4)35-37-43-39-40-44-38-36-42(33-30-27-24-21-18-15-12-9-6-2)34-31-28-25-22-19-16-13-10-7-3/h5-40H2,1-4H3.

What are the key properties of N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine?

N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine has a molecular weight of 625.12 g/mol, XLogP of 11.85, 39 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[di(undecyl)amino]ethoxy]ethoxy]ethyl]-N-methylundecan-1-amine is sourced from PubChem (CID 171750134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).